So did you just install pmemd? Make sure it is in your path, by sourcing amber.sh
If that’s not the problem then maybe the problem is with your pmemd installation itself. The Amber manual has clear instructions on installing pmemd with CUDA that you can follow.
Sent from my iPhone
> On Jan 5, 2020, at 1:46 AM, Sruthi Sudhakar <sruthisudhakarraji.gmail.com> wrote:
>
> Respected group members,
>
> I wanted to run a minimization but encountered the following error while
> using the pmemd.cuda command:
> ssr.clogin72:~/amber18/bin> pmemd.cuda -O -i Min.in -o Min.out -p
> lig7.prmtop -c lig7.rst7 -r Min.ncrst \ -inf Min.mdinfo
>
> If 'pmemd.cuda' is not a typo you can use command-not-found to lookup the
> package that contains it, like this:
> cnf pmemd.cuda
>
> ssr.clogin72:~/amber18/bin> cnf pmemd.cuda
>
> pmemd.cuda: command not found
>
>
> This is the first time I am using pmemd.cuda command.
>
>
> Please suggest what could possibly be wrong.
>
> Thanking you in advance.
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Received on Sun Jan 05 2020 - 00:00:02 PST
